3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide

C13H19N3O8 — CID 108788659

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)NC1C(O)O[C@H](CO)C(O)[C@@H]1O
InChIInChI=1S/C13H19N3O8/c17-5-6-10(20)11(21)9(12(22)24-6)14-7(18)1-3-16-4-2-8(19)15-13(16)23/h2,4,6,9-12,17,20-22H,1,3,5H2,(H,14,18)(H,15,19,23)/t6-,9?,10?,11-,12?/m1/s1
InChIKeyPRVMHMAJRNMHQK-AMRYBMHBSA-N
MW345.31 g/mol
LogP-4.16
Rot. Bonds5

About 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide (PubChem CID 108788659) has the molecular formula C13H19N3O8 and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
PubChem CID108788659
Molecular FormulaC13H19N3O8
Molecular Weight345.31 g/mol
Exact Mass345.12
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)NC1C(O)O[C@H](CO)C(O)[C@@H]1O
InChIInChI=1S/C13H19N3O8/c17-5-6-10(20)11(21)9(12(22)24-6)14-7(18)1-3-16-4-2-8(19)15-13(16)23/h2,4,6,9-12,17,20-22H,1,3,5H2,(H,14,18)(H,15,19,23)/t6-,9?,10?,11-,12?/m1/s1
InChIKeyPRVMHMAJRNMHQK-AMRYBMHBSA-N
XLogP-4.16
TPSA174.11 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.31
LogP ≤ 5-4.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788640
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
4-oxo-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
CID 91483902
4-oxo-N-[(5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
CID 59064645
4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
CID 58545355
[4-oxo-4-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]butyl]-triphenylphosphanium
CID 101349422
N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride
CID 154888784
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 86741179
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide (CID 108788659) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide is O=C(CCn1ccc(=O)[nH]c1=O)NC1C(O)O[C@H](CO)C(O)[C@@H]1O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide?
The InChIKey is PRVMHMAJRNMHQK-AMRYBMHBSA-N. The full InChI is InChI=1S/C13H19N3O8/c17-5-6-10(20)11(21)9(12(22)24-6)14-7(18)1-3-16-4-2-8(19)15-13(16)23/h2,4,6,9-12,17,20-22H,1,3,5H2,(H,14,18)(H,15,19,23)/t6-,9?,10?,11-,12?/m1/s1.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide has a molecular weight of 345.31 g/mol, XLogP of -4.16, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide is sourced from PubChem (CID 108788659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).